4-[(E)-2-[5-(2-chloro-5-nitrophenyl)furan-2-yl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one

Formula:C17H9N3O4ClF3 Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-[(E)-2-[5-(2-chloro-5-nitrophenyl)furan-2-yl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one is a drug-like molecule.

MolName	4-[(E)-2-[5-(2-chloro-5-nitrophenyl)furan-2-yl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
MolecularFormula	C17H9N3O4ClF3
Smiles	[O-][N+](c(cc1)cc(-c2ccc(/C=C/C(C=C(C(F)(F)F)N3)=NC3=O)o2)c1Cl)=O
InChI	InChI=1S/C17H9ClF3N3O4/c18-13-5-2-10(24(26)27)8-12(13)14-6-4-11(28-14)3-1-9-7-15(17(19,20)21)23-16(25)22-9/h1-8H,(H,22,23,25)
InChIK	QTVXHEFPLMCCJI-UHFFFAOYSA-N
TotalMolweight	411.722
Molweight	411.722
MonoisotopicMass	411.023368
CLogP	3.3905
CLogS	-6.955
H Acceptors	7
H Donors	1
TotalSurfaceArea	281.15
Relative PSA	0.28647
PolarSurfaceArea	100.42
Druglikeness	-9.334
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	2
Amides	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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